(E)-N-ethyl-4-phenyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine

C17H16N4S — CID 6902614

IUPAC(E)-N-ethyl-4-phenyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccccc2)n1/N=C/c1ccccn1
InChIInChI=1S/C17H16N4S/c1-2-18-17-21(20-12-15-10-6-7-11-19-15)16(13-22-17)14-8-4-3-5-9-14/h3-13H,2H2,1H3/b18-17-,20-12+
InChIKeyABYYMJRWMWVUQX-DONCZSHCSA-N
MW308.41 g/mol
LogP3.41
Rot. Bonds4

About (E)-N-ethyl-4-phenyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine

(E)-N-ethyl-4-phenyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine (PubChem CID 6902614) has the molecular formula C17H16N4S and a molecular weight of 308.41 g/mol. Its IUPAC name is (E)-N-ethyl-4-phenyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-N-ethyl-4-phenyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
PubChem CID6902614
Molecular FormulaC17H16N4S
Molecular Weight308.41 g/mol
Exact Mass308.11
IUPAC Name(E)-N-ethyl-4-phenyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccccc2)n1/N=C/c1ccccn1
InChIInChI=1S/C17H16N4S/c1-2-18-17-21(20-12-15-10-6-7-11-19-15)16(13-22-17)14-8-4-3-5-9-14/h3-13H,2H2,1H3/b18-17-,20-12+
InChIKeyABYYMJRWMWVUQX-DONCZSHCSA-N
XLogP3.41
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-N-ethyl-4-phenyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
CID 1435169
(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6905520
Benzyl hydrogen [1-(pyridin-2-yl)ethylidene]carbonodithiohydrazonate
CID 3004127
3-(cyclohexylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 3899146
4-phenyl-N-prop-2-enyl-3-(2-pyridinylmethylideneamino)-2-thiazolimine
CID 6902581
(E)-4-(4-fluorophenyl)-N-prop-2-enyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6905603
4-(2-fluorophenyl)-N-methyl-3-[1-(3-pyridinyl)ethylideneamino]-2-thiazolimine
CID 9666217
3-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-imine;hydrobromide
CID 70691898
3-pentyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-imine;hydrobromide
CID 70693935
4-(2-fluorophenyl)-2-methylimino-N-[(Z)-2-pyrrolylidenemethyl]-3-thiazolamine
CID 135439852
N-benzyl-5-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135519882
(E)-4-(3,4-dimethylphenyl)-N-methyl-3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 135676107

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-4-phenyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-N-ethyl-4-phenyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine (CID 6902614) is (E)-N-ethyl-4-phenyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-N-ethyl-4-phenyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-N-ethyl-4-phenyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccccc2)n1/N=C/c1ccccn1.
What is the InChIKey of (E)-N-ethyl-4-phenyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is ABYYMJRWMWVUQX-DONCZSHCSA-N. The full InChI is InChI=1S/C17H16N4S/c1-2-18-17-21(20-12-15-10-6-7-11-19-15)16(13-22-17)14-8-4-3-5-9-14/h3-13H,2H2,1H3/b18-17-,20-12+.
What are the key properties of (E)-N-ethyl-4-phenyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
(E)-N-ethyl-4-phenyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 308.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-4-phenyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6902614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).